N-(4-chloro-2-fluorophenyl)-2-[3-oxo-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-2-[3-oxo-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-(4-chloro-2-fluorophenyl)-2-[3-oxo-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M447-0108 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-2-[3-oxo-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 447.88 |
| Molecular Formula: | C18 H15 Cl F N7 O2 S |
| Smiles: | C1CCN(C1)c1nc2c(C3=NN(CC(Nc4ccc(cc4F)[Cl])=O)C(N3C=N2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.4829 |
| logD: | 3.4791 |
| logSw: | -3.8893 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.354 |
| InChI Key: | ADMUJQPOSJCCMR-UHFFFAOYSA-N |